4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C18H17ClF2N2O4S — CID 46798639

IUPAC4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H17ClF2N2O4S/c19-14-5-3-11(18(24)23-12-4-6-15(20)16(21)9-12)8-17(14)28(25,26)22-10-13-2-1-7-27-13/h3-6,8-9,13,22H,1-2,7,10H2,(H,23,24)
InChIKeyKFVCOXRZSQBEAD-UHFFFAOYSA-N
MW430.86 g/mol
LogP3.33
Rot. Bonds6

About 4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 46798639) has the molecular formula C18H17ClF2N2O4S and a molecular weight of 430.86 g/mol. Its IUPAC name is 4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID46798639
Molecular FormulaC18H17ClF2N2O4S
Molecular Weight430.86 g/mol
Exact Mass430.06
IUPAC Name4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H17ClF2N2O4S/c19-14-5-3-11(18(24)23-12-4-6-15(20)16(21)9-12)8-17(14)28(25,26)22-10-13-2-1-7-27-13/h3-6,8-9,13,22H,1-2,7,10H2,(H,23,24)
InChIKeyKFVCOXRZSQBEAD-UHFFFAOYSA-N
XLogP3.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.86
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 8017104
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9342591
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 41096601
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 18291900
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 40861903
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55546561
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472
4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 40917313
propan-2-yl 2-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]acetate
CID 56547063

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 46798639) is 4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of 4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is KFVCOXRZSQBEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O4S/c19-14-5-3-11(18(24)23-12-4-6-15(20)16(21)9-12)8-17(14)28(25,26)22-10-13-2-1-7-27-13/h3-6,8-9,13,22H,1-2,7,10H2,(H,23,24).
What are the key properties of 4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 430.86 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 46798639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).